Influence of spin-orbit coupling on the optical and thermoelectric properties of lateral MoSe2-WSe2 heterostructure

• Published in: Materials today energy 2024-12, Vol.46, p.101724, Article 101724
• Main Authors: Li, Ning, Wu, Yuqiang, Sun, Mengtao
• Format: Article
• Language: English
• Subjects: Absorption spectrum; Lateral heterostructure; Spin-orbit coupling; Thermoelectric properties; Transition metal dichalcogenides
• ISSN: 2468-6069; 2468-6069
• DOI: 10.1016/j.mtener.2024.101724

In this letter, the spin-orbit coupling (SOC) effect in lateral MoSe2-WSe2 heterostructure was theoretically investigated. The results demonstrate that the SOC effect induces band splitting, narrows the band gap, and reduces the effective mass of electrons. These alterations indicates the enhanced probability of electron transitions from the valence band to the conduction band. Additionally, the SOC effect leads to red shift in the absorption peaks and the presence of SOC effect has transformed the heterostructure from being originally a p-type thermoelectric material to a n-type thermoelectric material, increasing its thermoelectric figure of merit (ZT). Our work not only contributes to a deeper understanding of its physical mechanisms, but also provides a reference for its potential applications in the field of thermoelectric and optical devices. [Display omitted] •The influence of SOC effect on electronic behavior in lateral MoSe2-WSe2 heterostructure has been revealed.•Under the influence of SOC effect, ZT achieves significant improvement.•Our calculation results provide reference for the relevant applications of lateral heterostructures.